Chemical Properties of decyl benzoate (CAS 36685-97-9)

InChI

InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-12-15-19-17(18)16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3

InChI Key

CUSUFTNOPPMGBK-UHFFFAOYSA-N

Formula

C17H26O2

SMILES

CCCCCCCCCCOC(=O)c1ccccc1

Molecular Weight¹

262.39

CAS

36685-97-9

Other Names

• Benzoic acid, decyl ester
• n-decyl benzoate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-29.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-402.48	kJ/mol	Joback Calculated Property
ΔfusH°	36.61	kJ/mol	Joback Calculated Property
ΔvapH°	64.87	kJ/mol	Joback Calculated Property
log10WS	-5.48		Crippen Calculated Property
logPoct/wat	4.984		Crippen Calculated Property
McVol	234.070	ml/mol	McGowan Calculated Property
Pc	1635.13	kPa	Joback Calculated Property
Inp	[1955.00; 2003.36]
Inp	1977.32		NIST
Inp	Outlier 2003.36		NIST
Inp	1957.00		NIST
Inp	1959.00		NIST
Inp	1964.00		NIST
Inp	1977.00		NIST
Inp	1981.00		NIST
Inp	1955.00		NIST
Inp	1964.00		NIST
Inp	1972.00		NIST
Inp	1965.00		NIST
Inp	1980.00		NIST
Inp	1960.00		NIST
Inp	1973.00		NIST
Inp	1972.00		NIST
Inp	1977.32		NIST
Inp	1977.00		NIST
Inp	1972.00		NIST
Inp	1965.00		NIST
I	[2464.00; 2519.00]
I	2474.00		NIST
I	2500.00		NIST
I	2504.00		NIST
I	2475.00		NIST
I	2488.00		NIST
I	2506.00		NIST
I	2473.00		NIST
I	2494.00		NIST
I	2464.00		NIST
I	2486.00		NIST
I	2519.00		NIST
I	2519.00		NIST
I	2474.00		NIST
I	2506.00		NIST
I	2473.00		NIST
Tboil	691.33	K	Joback Calculated Property
Tc	884.75	K	Joback Calculated Property
Tfus	379.93	K	Joback Calculated Property
Vc	0.903	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[654.86; 745.76]	J/mol×K	[691.33; 884.75]
Cp,gas	654.86	J/mol×K	691.33	Joback Calculated Property
Cp,gas	672.36	J/mol×K	723.57	Joback Calculated Property
Cp,gas	688.87	J/mol×K	755.80	Joback Calculated Property
Cp,gas	704.44	J/mol×K	788.04	Joback Calculated Property
Cp,gas	719.09	J/mol×K	820.27	Joback Calculated Property
Cp,gas	732.85	J/mol×K	852.51	Joback Calculated Property
Cp,gas	745.76	J/mol×K	884.75	Joback Calculated Property
η	[0.0001083; 0.0016807]	Pa×s	[379.93; 691.33]
η	0.0016807	Pa×s	379.93	Joback Calculated Property
η	0.0008086	Pa×s	431.83	Joback Calculated Property
η	0.0004552	Pa×s	483.73	Joback Calculated Property
η	0.0002864	Pa×s	535.63	Joback Calculated Property
η	0.0001956	Pa×s	587.53	Joback Calculated Property
η	0.0001421	Pa×s	639.43	Joback Calculated Property
η	0.0001083	Pa×s	691.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to decyl benzoate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.